SCHEMBL4253177

SCHEMBL4253177

CCCN1CCN(c2ccc(C(=O)OC)cc2C2CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR4 Q13639 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX15 P16050 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4407021 0.99 MAPT (0.40) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL4249870 0.94 HTR4 (0.41) MAPTALDH1A1KDM4ENPC1HPGD
Hydrochloric Acid SCHEMBL4249866 0.93 HTR4 (0.41) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL13806147 0.87 HTR1A (0.41) MAPTALDH1A1NPC1HPGDRAB9A
SCHEMBL4257010 0.87 OPRD1 (0.43) MAPTALDH1A1KDM4ENPC1HPGD
Hydrochloric Acid SCHEMBL4258032 0.86 HTR1A (0.40) MAPTALDH1A1NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL4257008 0.86 OPRD1 (0.43) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL4256021 0.83 NPC1 (0.44) MAPTALDH1A1KDM4ENPC1HPGD
SCHEMBL4256177 0.82 DRD2 (0.38) KDM4ELMNADRD2HSD17B10
SCHEMBL4252096 0.82 HRH2 (0.44) ALDH1A1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 MAPT 4564/4885ALDH1A1 305/4885KDM4E 2662/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 MAPT 4459/4885ALDH1A1 309/4885KDM4E 2695/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 MAPT 2706/4885ALDH1A1 617/4885KDM4E 3905/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.